Inorganic Solid Phases

Ba(Bi0.977K0.023)O3 (K0.1Ba0.9BiO3 lt) Crystal Structure

General Information

  • Phase Label(s): K0.1Ba0.9BiO3 lt
  • Structure Class(es): perovskite
  • Classification by Properties: nonmetal, semiconductor
  • Mineral Name(s):
  • Pearson Symbol: mS20
  • Space Group: 12
  • Phase Prototype: BaBiO3
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), automatic diffractometer; Nonius CAD4 (determination of structural parameters), X-rays, Ag Kα; λ = 0.05608 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement, R = 0.0732; wR = 0.0387
  • Sample Detail(s): energy-dispersive X-ray analysis; Ba1.00(4)K0.07(4)Bi0.94(3)Ox, twinned crystal (determination of cell parameters), twinned crystal, 0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.023BaBi0.977O3
  • Alphabetic Formula: BaBi0.977K0.023O3
  • Published Formula: Ba(Bi0.977K0.023)O3
  • Refined Formula: BaBi0.98K0.02O2.95
  • Wyckoff Sequence: 12,ji2da
  • Z Formula Units: 4
  • Density: ρ = 7.99 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1600750

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

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